(1s 2 2s 2 2p 2 3d 1 ) 4 F Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3d- electron | |
| 1 | 3d | 3.776222 | 1.11879388 |
| 2 | 3d | 7.870658 | .04543875 |
| 3 | 4d | 4.213324 | -.14846091 |
| 4 | 5d | 25.925493 | -.00025232 |
| 5 | 5d | 3.629290 | -.00633562 |
| ORB.ENERGY,a.u. | -7.083700 | ||
| NORM | 1.000000 | < R > | .883169 | < R2 > | .900123 | < 1/R > | 1.338569 | < 1/R**2 > | 2.189013 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.711728 | 1.16397345 |
| 2 | 3p | 7.851770 | -.18755364 |
| 3 | 2p | 16.216187 | .01915540 |
| 4 | 4p | 17.798802 | .00414021 |
| 5 | 5p | 37.680447 | -.00024870 |
| 6 | 5p | 5.312158 | .00146202 |
| ORB.ENERGY,a.u. | -20.498000 | ||
| NORM | 1.000000 | < R > | .353997 | < R2 > | .152264 | < 1/R > | 3.584443 | < 1/R**2 > | 17.452278 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.323715 | .42976654 |
| 2 | 2s | 7.487646 | -.86795847 |
| 3 | 3s | 7.548857 | -.28658553 |
| 4 | 4s | 28.320808 | .00195131 |
| 5 | 3s | 16.051862 | .01579846 |
| 6 | 5s | 7.408997 | -.02075833 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .405449 | < R2 > | .192737 | < 1/R > | 3.622261 | < 1/R**2 > | 53.241778 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.061342 | .92144303 |
| 2 | 1s | 24.150556 | .07730051 |
| 3 | 2s | 15.042139 | .01927803 |
| 4 | 3s | 18.605526 | -.01560869 |
| 5 | 5s | 40.553954 | .00084853 |
| 6 | 4s | 97.000657 | -.00003065 |
| 7 | 5s | 12.457153 | .00034385 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090725 | < R2 > | .011030 | < 1/R > | 16.625913 | < 1/R**2 > | 556.414787 |
Total Energy= -388.14316508 a.u.
Kinetic Energy= 388.24647888 a.u.
Potential Energy= -776.38964397 a.u.
Virial Ratio = -1.99973390